(3R)-N-methyl-1-[(3-nitrophenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-N-methyl-1-[(3-nitrophenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-benzyl-N-methyl-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-N-methyl-1-[(3-nitrophenyl)methyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-benzyl-N-methyl-1-[(3-nitrophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-benzyl-N-methyl-1-(3-nitrobenzyl)piperidin-1-ium-3-carboxamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-22(14-17-7-3-2-4-8-17)21(25)19-10-6-12-23(16-19)15-18-9-5-11-20(13-18)24(26)27/h2-5,7-9,11,13,19H,6,10,12,14-16H2,1H3/p+1/t19-/m1/s1